(1s 2 2s 2 2p 4 5d 1 ) 4 F Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | 2.497034 | 1.16209460 |
| 2 | 4d | 1.821945 | -5.13661562 |
| 3 | 5d | 1.825809 | 4.73590870 |
| 4 | 3d | 5.738884 | .06557962 |
| 5 | 5d | 8.587515 | -.01371112 |
| 6 | 4d | 16.658264 | .00037196 |
| 7 | 5d | 1.489783 | -.01902775 |
| 8 | 3d | 21.723989 | .00014159 |
| ORB.ENERGY,a.u. | -1.676900 | ||
| NORM | 1.000000 | < R > | 3.686917 | < R2 > | 15.449311 | < 1/R > | .381350 | < 1/R**2 > | .311259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.033397 | 1.13300893 |
| 2 | 3p | 6.787637 | -.21210294 |
| 3 | 2p | 12.944388 | .07368985 |
| 4 | 4p | 15.422599 | .01487902 |
| 5 | 5p | 19.298811 | -.00094464 |
| 6 | 5p | 5.579236 | -.00135297 |
| 7 | 4p | 66.459336 | .00002710 |
| ORB.ENERGY,a.u. | -16.290000 | ||
| NORM | 1.000000 | < R > | .374203 | < R2 > | .171201 | < 1/R > | 3.417682 | < 1/R**2 > | 16.015880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.490771 | .40548042 |
| 2 | 2s | 7.286533 | -.85555473 |
| 3 | 3s | 6.762354 | -.30014599 |
| 4 | 4s | 17.746679 | .00671683 |
| 5 | 3s | 20.088327 | .00809121 |
| 6 | 5s | 36.067369 | .00061203 |
| 7 | 5s | 6.412451 | -.00312954 |
| 8 | 2s | 89.466741 | .00000732 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420718 | < R2 > | .208181 | < 1/R > | 3.482116 | < 1/R**2 > | 49.505890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.159814 | .92045676 |
| 2 | 1s | 23.358578 | .07584360 |
| 3 | 2s | 10.415275 | .02022742 |
| 4 | 3s | 12.729811 | -.02016525 |
| 5 | 4s | 15.489826 | .00891861 |
| 6 | 5s | 41.328681 | .00081067 |
| 7 | 4s | 103.008261 | -.00002504 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011120 | < 1/R > | 16.590424 | < 1/R**2 > | 554.570892 |
Total Energy= -419.01184515 a.u.
Kinetic Energy= 419.01468329 a.u.
Potential Energy= -838.02652843 a.u.
Virial Ratio = -1.99999323